6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione

C8H13N5O3 — CID 103549359

IUPAC6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2COCCN2)c(=O)[nH]1
InChIInChI=1S/C8H13N5O3/c14-7-6(12-13-8(15)11-7)10-3-5-4-16-2-1-9-5/h5,9H,1-4H2,(H,10,12)(H2,11,13,14,15)
InChIKeyVIJOIOITZPPIGP-UHFFFAOYSA-N
MW227.22 g/mol
LogP-2.14
Rot. Bonds3

About 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione

6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 103549359) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID103549359
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2COCCN2)c(=O)[nH]1
InChIInChI=1S/C8H13N5O3/c14-7-6(12-13-8(15)11-7)10-3-5-4-16-2-1-9-5/h5,9H,1-4H2,(H,10,12)(H2,11,13,14,15)
InChIKeyVIJOIOITZPPIGP-UHFFFAOYSA-N
XLogP-2.14
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione (CID 103549359) is 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2COCCN2)c(=O)[nH]1.
What is the InChIKey of 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VIJOIOITZPPIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c14-7-6(12-13-8(15)11-7)10-3-5-4-16-2-1-9-5/h5,9H,1-4H2,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 227.22 g/mol, XLogP of -2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103549359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).